Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9672149 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19CYP2B6NPY5R | |
| SCHEMBL9670534 | 0.74 | NPY5R (0.35) | CYP3A4CYP2C9CYP2C19NPY5RHTT | |
| SCHEMBL9879131 | 0.71 | GAA (0.36) | CYP2C9CYP2C19NPY5RGRIA2CYP1A2 | |
| SCHEMBL9670602 | 0.71 | GAA (0.36) | CYP2C9CYP2C19NPY5RGRIA2CYP1A2 | |
| SCHEMBL9670873 | 0.70 | CNR1 (0.39) | HTTALDH1A1PKMLMNASMN1; SMN2 | |
| SCHEMBL9671018 | 0.69 | CYP3A4 (0.39) | CYP3A4HTTALDH1A1PKM | |
| SCHEMBL9673220 | 0.67 | LMNA (0.36) | CYP3A4NPY5RKDM4EHTTALDH1A1 | |
| SCHEMBL24500908 | 0.67 | GRIA1 (0.54) | NPY5RGRIA2 | |
| SCHEMBL6565156 | 0.67 | GRIA1 (0.54) | NPY5RGRIA2 | |
| SCHEMBL9672528 | 0.67 | NOTUM (0.36) | CYP3A4KDM4EHTTALDH1A1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0510028-A1 | THIOFORMAMIDE DERIVATIVES. | RHONE POULENC RORER SA (FR) | 1992-10-28 | — | — | EP | disclosed |